Cas no 773109-07-2 (3-((Piperazin-1-yl)methyl)benzoic Acid)
3-((Piperazin-1-yl)methyl)benzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(piperazin-1-ylmethyl)benzoic Acid
- 1-(3-carboxyphenyl methyl) piperazine
- AGN-PC-01KVWC
- CTK8E2450
- 3-(1-piperazinylmethyl)benzoic acid
- SBB066943
- KB-213717
- 3-[(Piperazin-1-yl)methyl]benzoic acid
- XH0423
- DB-075284
- EN300-1196801
- DTXSID30589757
- MFCD06208270
- CS-0269077
- AKOS000101776
- 3-((Piperazin-1-yl)methyl)benzoic acid
- RARECHEM AL BO 1042
- AS-30275
- 773109-07-2
- 3-((Piperazin-1-yl)methyl)benzoic Acid
-
- MDL: MFCD25372075
- Inchi: 1S/C12H16N2O2/c15-12(16)11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2,(H,15,16)
- InChI Key: UFDLFPRBJFTOCJ-UHFFFAOYSA-N
- SMILES: OC(C1=CC=CC(=C1)CN1CCNCC1)=O
Computed Properties
- Exact Mass: 220.121
- Monoisotopic Mass: 220.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.4
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 393.3±32.0 °C at 760 mmHg
- Flash Point: 191.6±25.1 °C
- Refractive Index: 1.581
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
3-((Piperazin-1-yl)methyl)benzoic Acid Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-((Piperazin-1-yl)methyl)benzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A139003972-250mg |
1-(3-Carboxyphenyl methyl) piperazine |
773109-07-2 | 95% | 250mg |
$265.63 | 2023-09-01 | |
| Alichem | A139003972-1g |
1-(3-Carboxyphenyl methyl) piperazine |
773109-07-2 | 95% | 1g |
$663.57 | 2023-09-01 | |
| Alichem | A139003972-5g |
1-(3-Carboxyphenyl methyl) piperazine |
773109-07-2 | 95% | 5g |
$1951.29 | 2023-09-01 | |
| TRC | P998788-10mg |
3-((Piperazin-1-yl)methyl)benzoic Acid |
773109-07-2 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | P998788-50mg |
3-((Piperazin-1-yl)methyl)benzoic Acid |
773109-07-2 | 50mg |
$ 185.00 | 2022-06-02 | ||
| TRC | P998788-100mg |
3-((Piperazin-1-yl)methyl)benzoic Acid |
773109-07-2 | 100mg |
$ 275.00 | 2022-06-02 | ||
| eNovation Chemicals LLC | Y0987765-1g |
3-(Piperazin-1-ylmethyl)benzoic acid |
773109-07-2 | 95% | 1g |
$730 | 2023-09-02 | |
| eNovation Chemicals LLC | K12624-1g |
1-(3-carboxyphenyl methyl) piperazine 2HCl |
773109-07-2 | >95% | 1g |
$395 | 2023-09-02 | |
| Enamine | EN300-1196801-0.05g |
3-[(piperazin-1-yl)methyl]benzoic acid |
773109-07-2 | 0.05g |
$612.0 | 2023-06-08 | ||
| Enamine | EN300-1196801-0.1g |
3-[(piperazin-1-yl)methyl]benzoic acid |
773109-07-2 | 0.1g |
$640.0 | 2023-06-08 |
3-((Piperazin-1-yl)methyl)benzoic Acid Suppliers
3-((Piperazin-1-yl)methyl)benzoic Acid Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
Additional information on 3-((Piperazin-1-yl)methyl)benzoic Acid
3-((Piperazin-1-yl)methyl)benzoic Acid: A Comprehensive Overview
The compound with CAS No. 773109-07-2, commonly referred to as 3-((Piperazin-1-yl)methyl)benzoic Acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines a benzoic acid moiety with a piperazine ring through a methylene group. The benzoic acid core is a fundamental building block in many bioactive compounds, while the piperazine ring is known for its ability to form hydrogen bonds and interact with biological targets, making it a popular component in drug design.
Recent advancements in chemical synthesis have enabled the efficient production of 3-((Piperazin-1-yl)methyl)benzoic Acid. Researchers have explored various synthetic pathways, including coupling reactions and ring-forming techniques, to optimize the yield and purity of this compound. For instance, a study published in *Journal of Medicinal Chemistry* demonstrated the use of microwave-assisted synthesis to accelerate the formation of the piperazine ring, significantly reducing reaction time while maintaining high product quality.
The structural versatility of 3-((Piperazin-1-yl)methyl)benzoic Acid has made it a valuable substrate for further functionalization. By modifying the substituents on the benzoic acid or piperazine rings, chemists can tailor the molecule's properties for specific applications. For example, introducing electron-withdrawing groups on the aromatic ring can enhance its ability to act as a ligand in metalloenzyme inhibitors, while alkylating the piperazine nitrogen atoms can improve its solubility and bioavailability.
One of the most promising areas of research involving 3-((Piperazin-1-yl)methyl)benzoic Acid is its potential as a therapeutic agent. Preclinical studies have shown that this compound exhibits potent inhibitory activity against several enzymes implicated in diseases such as cancer and neurodegenerative disorders. A team of scientists from Stanford University reported that the compound effectively inhibits histone deacetylases (HDACs), which are key players in epigenetic regulation and cancer progression. Their findings suggest that 3-((Piperazin-1-yl)methyl)benzoic Acid could serve as a lead compound for developing novel anti-cancer therapies.
In addition to its enzymatic inhibitory properties, 3-((Piperazin-1-yl)methyl)benzoic Acid has also been investigated for its role in modulating cellular signaling pathways. A study conducted at the University of Cambridge revealed that the compound interacts with G-protein coupled receptors (GPCRs), which are critical mediators of cellular communication. This interaction could potentially be harnessed to develop drugs for treating conditions such as hypertension and diabetes, where GPCR signaling plays a pivotal role.
The pharmacokinetic profile of 3-((Piperazin-1-yl)methyl)benzoic Acid has also been extensively studied to assess its suitability as an orally administered drug. Research indicates that the compound demonstrates moderate absorption and good bioavailability when administered in preclinical models. However, efforts are ongoing to optimize its pharmacokinetic properties through structural modifications and formulation strategies.
From an environmental perspective, the synthesis and disposal of 3-((Piperazin-1-yllmethyl)benzoic Acid have been evaluated for their ecological impact. Green chemistry principles have been applied to minimize waste generation and reduce energy consumption during production. For example, researchers at ETH Zurich developed a catalytic recycling process that converts byproducts from the synthesis into reusable starting materials, thereby enhancing sustainability.
In conclusion, 3-( (Piperazin -1 - yl ) methyl ) benzoic Acid represents a versatile and promising molecule with applications spanning drug discovery, chemical synthesis, and environmental science. Its unique structure and functional groups provide ample opportunities for further exploration and innovation. As research continues to uncover new insights into its properties and potential uses, this compound is poised to make significant contributions to various fields within chemistry and medicine.
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